TY  - JOUR
AU  - Mejias, Francisco J R
AU  - Duran, Alexandra G
AU  - Chinchilla, Nuria
AU  - Varela, Rosa M
AU  - Alvarez, Jose A
AU  - Molinillo, Jose M G
AU  - Garcia-Cozar, Francisco
AU  - Macias, Francisco A
PY  - 2022
DO  - 10.3390/toxins14090599
UR  - http://hdl.handle.net/10668/21594
T2  - Toxins
AB  - In the work described here, a number of sesquiterpenes and benzoxazinoids from natural sources, along with their easily accessible derivatives, were evaluated against the main protease, RNA replicase and spike glycoprotein of SARS-CoV-2 by molecular...
LA  - en
PB  - MDPI
KW  - COVID-19
KW  - SARS-CoV-2
KW  - Benzoxazinoid
KW  - Docking
KW  - Molecular dynamics
KW  - Sesquiterpene
KW  - Antiviral agents
KW  - Benzoates
KW  - Benzoxazines
KW  - Biological products
KW  - COVID-19
KW  - Coronavirus 3C proteases
KW  - Humans
KW  - Hydrogen
KW  - Ligands
KW  - Molecular docking simulation
KW  - Molecular dynamics simulation
KW  - Protease inhibitors
KW  - RNA-dependent RNA polymerase
KW  - SARS-CoV-2
KW  - Sesquiterpenes
KW  - Spike glycoprotein, coronavirus
TI  - In Silico Evaluation of Sesquiterpenes and Benzoxazinoids Phytotoxins against Mpro, RNA Replicase and Spike Protein of SARS-CoV-2 by Molecular Dynamics. Inspired by Nature.
TY  - Research article
VL  - 14
ER  -